SCHEMBL4829952

SCHEMBL4829952

c1ccc2c(-c3nnn[nH]3)c[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
IMPDH2 P12268 2/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
NT5E P21589 1/20 0.46
SIRT2 Q8IXJ6 2/20 0.45
NR4A2 P43354 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trimethylammonium SCHEMBL9341101 0.77 NT5E (0.40) HSD17B10IMPDH2MAPK1MEN1KMT2A
SCHEMBL12615990 0.75 ALDH1A1 (0.38) MEN1KMT2AALDH1A1GAA
SCHEMBL1202543 0.74 IMPDH2 (0.63) HSD17B10IMPDH2MAPK1MEN1KMT2A
SCHEMBL28399449 0.74 MEN1 (0.65) HSD17B10IMPDH2MAPK1MEN1KMT2A
SCHEMBL28027362 0.72 KIF11 (0.45) HSD17B10MAPK1MEN1KMT2AMAPT
SCHEMBL1250423 0.71 KDM4E (0.42) HSD17B10MAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL28339782 0.71 MEN1 (0.49) HSD17B10IMPDH2MAPK1MEN1KMT2A
SCHEMBL28431679 0.71 NT5E (0.48) HSD17B10IMPDH2MAPK1MEN1KMT2A
SCHEMBL7768911 0.71 KCNN4 (0.35) MEN1KMT2AALDH1A1
Nortopsentin D SCHEMBL29489921 0.70 PDGFRB (0.62) HSD17B10IMPDH2MAPK1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754041-A4 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMA (US) 1997-11-19 EP claimed
EP-0754041-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS INCORPORATED (US) 1997-01-22 EP claimed
WO-1995026723-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS, INC. (US) 1995-10-12 WO claimed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
CN-101137903-A Biomarkers for Neurodegenerative Diseases UNIV ROCHESTER (US) 2008-03-05 CN disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
EP-1776368-A1 INHIBITORS OF HCV REPLICATION Bristol-Myers Squibb Company (US) 2007-04-25 EP disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 US disclosed
WO-2006020082-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 WO disclosed
EP-1034267-A1 COMPOSITIONS AND METHODS FOR INDUCING GENE EXPRESSION GENZYME CORPORATION (US) 2000-09-13 EP disclosed
WO-1999028469-A1 COMPOSITIONS AND METHODS FOR INDUCING GENE EXPRESSION GENZYME CORPORATION (US) 1999-06-10 WO disclosed
EP-0754041-A4 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMA (US) 1997-11-19 EP disclosed
EP-0754041-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS INCORPORATED (US) 1997-01-22 EP disclosed
US-5580878-A TREATING SLEEP DISORDERS INTERNEURON PHARMACEUTICALS, INC. (US) 1996-12-03 US disclosed
WO-1995026723-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS, INC. (US) 1995-10-12 WO disclosed
US-5403851-A Central nervous system and psychological disorders INTERNEURON PHARMACEUTICALS, INC. (US) 1995-04-04 US disclosed
US-4333943-A Ethyl 3-(3-indolyl)-3-(5-tetrazolyl) propionate compounds used as anti-hypertensive agents MILES LABORATORIES, INC. (US) 1982-06-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 HSD17B10 1374/4885IMPDH2 185/4885MAPK1 2349/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 HSD17B10 1374/4885IMPDH2 185/4885MAPK1 2349/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.